(3R)-1-[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-1-[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[2-keto-2-(3-phenyl-2-pyrazolin-1-yl)ethyl]piperidin-1-ium-3-carboxamide Formula: C17H23N4O2+ MolecularWeight: 315.39012

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC(=O)N2CCC(=N2)C3=CC=CC=C3)C(=O)N

Isomeric SMILES

C1C[C@H](C[NH+](C1)CC(=O)N2CCC(=N2)C3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C17H22N4O2/c18-17(23)14-7-4-9-20(11-14)12-16(22)21-10-8-15(19-21)13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12H2,(H2,18,23)/p+1/t14-/m1/s1